2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid

C19H35NO4 — CID 10268907

IUPAC2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C19H35NO4/c1-3-4-5-6-9-13-20-18(23)19(11-7-8-12-19)15-16(17(21)22)10-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQEELHMMVIHADLT-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.76
Rot. Bonds13

About 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid

2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid (PubChem CID 10268907) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
PubChem CID10268907
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid
SMILESCCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C19H35NO4/c1-3-4-5-6-9-13-20-18(23)19(11-7-8-12-19)15-16(17(21)22)10-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyQEELHMMVIHADLT-UHFFFAOYSA-N
XLogP3.76
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The IUPAC name of 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid (CID 10268907) is 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid is CCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1.
What is the InChIKey of 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
The InChIKey is QEELHMMVIHADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-3-4-5-6-9-13-20-18(23)19(11-7-8-12-19)15-16(17(21)22)10-14-24-2/h16H,3-15H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid?
2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid has a molecular weight of 341.49 g/mol, XLogP of 3.76, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(heptylcarbamoyl)cyclopentyl]methyl]-4-methoxybutanoic acid is sourced from PubChem (CID 10268907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).